General Information of the Compound
| Compound ID |
CP0970539
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(5-(((2-(azetidin-1-yl)quinolin-7-yl)oxy)methyl)pyridin-3-yl)-5-(1-(2-methoxyethyl)-1H-pyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H29N9O2
|
||||||||||||||||||
| Molecular Weight |
547.623
|
||||||||||||||||||
| Canonical SMILES |
COCCn1ccc(-c2cn(-c3cncc(COc4ccc5ccc(N6CCC6)nc5c4)c3)c3ncnc(N)c23)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H29N9O2/c1-40-12-11-38-10-7-25(36-38)24-17-39(30-28(24)29(31)33-19-34-30)22-13-20(15-32-16-22)18-41-23-5-3-21-4-6-27(35-26(21)14-23)37-8-2-9-37/h3-7,10,13-17,19H,2,8-9,11-12,18H2,1H3,(H2,31,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GRAOSBRGCXMORB-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound